CID 460706

Methyl n-[4-(4-methoxybenzoyl)-4,5-dihydrothiazol-2-yl]carbamate

Structural Information

Molecular Formula
C13H14N2O4S
SMILES
COC1=CC=C(C=C1)C(=O)C2CSC(=N2)NC(=O)OC
InChI
InChI=1S/C13H14N2O4S/c1-18-9-5-3-8(4-6-9)11(16)10-7-20-12(14-10)15-13(17)19-2/h3-6,10H,7H2,1-2H3,(H,14,15,17)
InChIKey
JSYPWDJKQPVIRZ-UHFFFAOYSA-N
Compound name
methyl N-[4-(4-methoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0674 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07468 165.8
[M+Na]+ 317.05662 172.6
[M-H]- 293.06012 171.6
[M+NH4]+ 312.10122 181.7
[M+K]+ 333.03056 170.4
[M+H-H2O]+ 277.06466 158.3
[M+HCOO]- 339.06560 183.7
[M+CH3COO]- 353.08125 199.1
[M+Na-2H]- 315.04207 165.2
[M]+ 294.06685 169.6
[M]- 294.06795 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.